2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide

C18H25BrN6O3 — CID 170376120

IUPAC2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide
SMILESCC(C)(CCC1=NNNN1)NC(=O)CN1C(=O)C(C)(C)c2cc(Br)cc(O)c21
InChIInChI=1S/C18H25BrN6O3/c1-17(2,6-5-13-21-23-24-22-13)20-14(27)9-25-15-11(18(3,4)16(25)28)7-10(19)8-12(15)26/h7-8,23-24,26H,5-6,9H2,1-4H3,(H,20,27)(H,21,22)
InChIKeyWMMVVUOZMLMSIB-UHFFFAOYSA-N
MW453.34 g/mol
LogP1.38
Rot. Bonds6

About 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide

2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide (PubChem CID 170376120) has the molecular formula C18H25BrN6O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide
PubChem CID170376120
Molecular FormulaC18H25BrN6O3
Molecular Weight453.34 g/mol
Exact Mass452.12
IUPAC Name2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide
SMILESCC(C)(CCC1=NNNN1)NC(=O)CN1C(=O)C(C)(C)c2cc(Br)cc(O)c21
InChIInChI=1S/C18H25BrN6O3/c1-17(2,6-5-13-21-23-24-22-13)20-14(27)9-25-15-11(18(3,4)16(25)28)7-10(19)8-12(15)26/h7-8,23-24,26H,5-6,9H2,1-4H3,(H,20,27)(H,21,22)
InChIKeyWMMVVUOZMLMSIB-UHFFFAOYSA-N
XLogP1.38
TPSA118.09 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 51.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-(5-bromo-7-methoxy-3,3-dimethyl-2-oxoindol-1-yl)acetate
CID 170324204
4-[[2-[3,3-dimethyl-2-oxo-5-(trifluoromethyl)indol-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 170324091
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500739
4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 129467724
5-bromo-3,3-dimethyl-1-(2-oxopropyl)indol-2-one
CID 170376462
N-(1-amino-2-methylpropan-2-yl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 119521788
N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951283
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8571509
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
2-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 113356416
methyl 4-[[2-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoate
CID 170324171
5-bromo-1-(hydroxymethyl)-3,3-dimethylindol-2-one
CID 58031734

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide (CID 170376120) is 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide is CC(C)(CCC1=NNNN1)NC(=O)CN1C(=O)C(C)(C)c2cc(Br)cc(O)c21.
What is the InChIKey of 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide?
The InChIKey is WMMVVUOZMLMSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN6O3/c1-17(2,6-5-13-21-23-24-22-13)20-14(27)9-25-15-11(18(3,4)16(25)28)7-10(19)8-12(15)26/h7-8,23-24,26H,5-6,9H2,1-4H3,(H,20,27)(H,21,22).
What are the key properties of 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide?
2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide has a molecular weight of 453.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[4-(2,3-dihydro-1H-tetrazol-5-yl)-2-methylbutan-2-yl]acetamide is sourced from PubChem (CID 170376120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).